Monte Carlo Simulations of the Phase Separation of a Copolymer Blend in a Thin Film |
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| Authors: | Zhexiao Wang Jing Shao Heng Pan Prof. Dr. Xiaoshuang Feng Prof. Dr. Peng Chen Prof. Dr. Ru Xia Xiangsong Wu Prof. Dr. Jiasheng Qian |
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| Affiliation: | 1. Anhui Province Key Laboratory of Environment‐friendly Polymer Materials, School of Chemistry and Chemical Engineering, Anhui University, Hefei 230601 (P. R. China);2. Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology (KAUST), Thuwal, 23955‐6900 (Saudi Arabia) |
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| Abstract: | Monte Carlo simulations were carried out to study the phase separation of a copolymer blend comprising an alternating copolymer and/or block copolymer in a thin film, and a phase diagram was constructed with a series of composed recipes. The effects of composition and segregation strength on phase separation were discussed in detail. The chain conformation of the block copolymer and alternating copolymer were investigated with changes of the segregation strength. Our simulations revealed that the segment distribution along the copolymer chain and the segregation strength between coarse‐grained beads are two important parameters controlling phase separation and chain conformation in thin films of a copolymer blend. A well‐controlled phase separation in the copolymer blend can be used to fabricate novel nanostructures. |
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| Keywords: | Monte Carlo simulations phase separation polymer blends segregation thin films |
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